data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6946_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 -3.10 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.93 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.60 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 5.25 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 MET -6.96 -0.73 0 11 VAL -2.87 -2.00 1 12 THR 0.14 0.06 1 13 ILE 0.81 -0.06 1 16 HIS -1.19 1.49 1 17 VAL 5.92 4.72 1 18 ASP 3.18 1.98 1 19 HIS -2.51 0.16 1 21 LYS 5.09 4.71 1 24 LEU 4.14 3.24 1 25 LEU 3.99 3.05 1 26 ASP 3.41 2.93 1 27 ALA 2.80 2.38 1 28 ILE 5.35 4.31 1 29 ARG 3.77 2.72 1 30 HIS 1.56 2.20 1 31 SER 0.97 1.48 1 32 LYS -1.63 -1.50 1 33 VAL 1.64 0.83 1 34 THR -0.66 -0.18 1 35 GLU -1.07 -0.16 1 36 GLN 0.56 0.71 1 37 GLU -0.41 0.01 1 38 ALA 0.01 0.19 1 41 ILE 0.36 0.36 1 42 THR 0.23 0.14 1 45 ILE 0.05 0.13 1 47 ALA -3.51 -1.08 1 48 TYR -3.03 -1.16 1 49 GLN -4.02 -1.26 1 50 VAL -4.85 -2.27 1 51 THR -0.03 -0.12 1 52 VAL -2.31 -1.32 1 53 ASN 3.80 1.75 1 54 ASP 2.34 1.40 1 58 THR 0.33 0.35 1 59 PHE -1.18 1.13 1 74 ARG 1.09 0.54 1 81 ILE -6.03 -0.72 1 82 VAL -3.43 -1.61 1 83 ILE -2.36 -3.18 1 84 LEU -5.22 -2.77 1 85 VAL -0.45 -0.87 1 86 VAL -3.57 -2.67 1 87 ALA -6.02 -2.19 1 88 ALA 0.27 1.10 1 89 ASP -1.68 -2.11 1 90 ASP -5.75 -1.80 1 92 VAL 2.84 2.03 1 93 MET -1.57 -0.79 1 95 GLN 5.09 3.81 1 96 THR 6.54 5.10 1 97 VAL 5.70 4.45 1 98 GLU 2.73 2.70 1 99 ALA 2.91 2.79 1 100 ILE 5.67 5.04 1 101 ASN 4.36 2.81 1 102 HIS 3.06 4.20 1 103 ALA 4.07 2.92 1 104 LYS 3.56 2.91 1 105 ALA 3.17 1.99 1 106 ALA -1.05 -0.64 1 107 ASN 2.56 0.96 1 108 VAL -1.51 -1.42 1 110 ILE -5.09 -1.65 1 111 ILE -3.61 -1.01 1 112 VAL 0.38 -0.64 1 113 ALA -4.90 -3.47 1 114 ILE 1.14 -0.50 1 115 ASN -4.30 -2.10 1 117 MET 2.67 -0.51 1 118 ASP -0.71 -0.62 1 119 LYS 1.66 0.29 1 121 GLU 1.20 -0.26 1 122 ALA 1.21 1.56 1 123 ASN -0.48 -0.84 1 125 ASP 4.09 3.66 1 126 ARG 5.37 3.50 1 127 VAL 5.38 3.25 1 128 MET 5.21 5.47 1 129 GLN 5.11 3.92 1 130 GLU 2.80 3.45 1 131 LEU 3.68 2.61 1 132 MET 5.22 4.40 1 133 GLU 2.38 1.46 1 134 TYR 0.53 -0.19 1 135 ASN 3.57 1.55 1 136 LEU -0.40 -1.39 1 137 VAL -1.55 -0.49 1 139 GLU 2.50 2.49 1 140 GLU 3.04 1.96 1 141 TRP -3.66 -3.87 1 144 ASP -2.29 -1.12 1 145 THR 0.78 1.50 1 146 ILE 1.92 1.08 1 147 PHE -4.37 -2.31 1 149 LYS 0.33 0.15 1 150 LEU -2.08 -0.41 1 151 SER -2.54 -1.72 1 152 ALA 3.01 2.00 1 153 LYS 2.46 2.53 1 154 THR 0.19 0.11 1 155 LYS 6.77 2.70 1 156 GLU 0.86 1.12 1 158 LEU 4.17 3.23 1 159 ASP 5.54 3.66 1 160 HIS 4.04 3.52 1 161 LEU 4.67 3.42 1 162 LEU 5.08 3.29 1 163 GLU 3.64 3.02 1 164 MET 1.41 1.21 1 165 ILE 5.97 4.84 1 166 LEU 3.80 2.56 1 167 LEU 3.63 3.43 1 168 VAL 5.44 4.33 1 171 MET 2.73 2.76 1 172 GLU 1.46 1.36 1 173 GLU 1.80 1.73 1 174 LEU 1.34 0.96 1 175 LYS 0.97 0.84 1 176 ALA -0.06 0.14 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6946_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 3.86 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.07 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.40 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 -1.51 _LACS_plot.Y_axis_chem_shift_offset 0.00 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 MET -6.96 6.23 0 11 VAL -2.87 0.87 1 12 THR 0.14 -0.08 1 13 ILE 0.81 -0.87 1 16 HIS -1.19 2.68 1 17 VAL 5.92 -1.20 1 18 ASP 3.18 -1.20 1 19 HIS -2.51 2.67 1 21 LYS 5.09 -0.38 1 24 LEU 4.14 -0.90 1 25 LEU 3.99 -0.94 1 26 ASP 3.41 -0.48 1 27 ALA 2.80 -0.42 1 28 ILE 5.35 -1.04 1 29 ARG 3.77 -1.05 1 30 HIS 1.56 0.64 1 31 SER 0.97 0.51 1 32 LYS -1.63 0.13 1 33 VAL 1.64 -0.81 1 34 THR -0.66 0.48 1 35 GLU -1.07 0.91 1 36 GLN 0.56 0.15 1 37 GLU -0.41 0.42 1 38 ALA 0.01 0.18 1 41 ILE 0.36 0.00 1 42 THR 0.23 -0.09 1 45 ILE 0.05 0.08 1 47 ALA -3.51 2.43 1 48 TYR -3.03 1.87 1 49 GLN -4.02 2.76 1 50 VAL -4.85 2.58 1 51 THR -0.03 -0.09 1 52 VAL -2.31 0.99 1 53 ASN 3.80 -2.05 1 54 ASP 2.34 -0.94 1 58 THR 0.33 0.02 1 59 PHE -1.18 2.31 1 74 ARG 1.09 -0.55 1 81 ILE -6.03 5.31 1 82 VAL -3.43 1.82 1 83 ILE -2.36 -0.82 1 84 LEU -5.22 2.45 1 85 VAL -0.45 -0.42 1 86 VAL -3.57 0.90 1 87 ALA -6.02 3.83 1 88 ALA 0.27 0.83 1 89 ASP -1.68 -0.43 1 90 ASP -5.75 3.95 1 92 VAL 2.84 -0.81 1 93 MET -1.57 0.78 1 95 GLN 5.09 -1.28 1 96 THR 6.54 -1.44 1 97 VAL 5.70 -1.25 1 98 GLU 2.73 -0.03 1 99 ALA 2.91 -0.12 1 100 ILE 5.67 -0.63 1 101 ASN 4.36 -1.55 1 102 HIS 3.06 1.14 1 103 ALA 4.07 -1.15 1 104 LYS 3.56 -0.65 1 105 ALA 3.17 -1.18 1 106 ALA -1.05 0.41 1 107 ASN 2.56 -1.60 1 108 VAL -1.51 0.09 1 110 ILE -5.09 3.44 1 111 ILE -3.61 2.60 1 112 VAL 0.38 -1.02 1 113 ALA -4.90 1.43 1 114 ILE 1.14 -1.64 1 115 ASN -4.30 2.20 1 117 MET 2.67 -3.18 1 118 ASP -0.71 0.09 1 119 LYS 1.66 -1.37 1 121 GLU 1.20 -1.46 1 122 ALA 1.21 0.35 1 123 ASN -0.48 -0.36 1 125 ASP 4.09 -0.43 1 126 ARG 5.37 -1.87 1 127 VAL 5.38 -2.13 1 128 MET 5.21 0.26 1 129 GLN 5.11 -1.19 1 130 GLU 2.80 0.65 1 131 LEU 3.68 -1.07 1 132 MET 5.22 -0.82 1 133 GLU 2.38 -0.92 1 134 TYR 0.53 -0.72 1 135 ASN 3.57 -2.02 1 136 LEU -0.40 -0.99 1 137 VAL -1.55 1.06 1 139 GLU 2.50 -0.01 1 140 GLU 3.04 -1.08 1 141 TRP -3.66 -0.21 1 144 ASP -2.29 1.17 1 145 THR 0.78 0.72 1 146 ILE 1.92 -0.84 1 147 PHE -4.37 2.06 1 149 LYS 0.33 -0.18 1 150 LEU -2.08 1.67 1 151 SER -2.54 0.82 1 152 ALA 3.01 -1.01 1 153 LYS 2.46 0.07 1 154 THR 0.19 -0.08 1 155 LYS 6.77 -4.07 1 156 GLU 0.86 0.26 1 158 LEU 4.17 -0.94 1 159 ASP 5.54 -1.88 1 160 HIS 4.04 -0.52 1 161 LEU 4.67 -1.25 1 162 LEU 5.08 -1.79 1 163 GLU 3.64 -0.62 1 164 MET 1.41 -0.20 1 165 ILE 5.97 -1.13 1 166 LEU 3.80 -1.24 1 167 LEU 3.63 -0.20 1 168 VAL 5.44 -1.11 1 171 MET 2.73 0.03 1 172 GLU 1.46 -0.10 1 173 GLU 1.80 -0.07 1 174 LEU 1.34 -0.38 1 175 LYS 0.97 -0.13 1 176 ALA -0.06 0.20 1 stop_ save_ save_LACS_CACB_HA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6946_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name HA _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 0.83 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -0.09 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.35 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 -0.62 _LACS_plot.Y_axis_chem_shift_offset -0.12 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 MET -6.96 0.43 0 85 VAL -0.45 1.03 0 49 GLN -4.02 1.32 0 81 ILE -6.03 0.11 0 11 VAL -2.87 0.86 1 12 THR 0.14 0.46 1 13 ILE 0.81 0.78 1 16 HIS -1.19 -0.17 1 17 VAL 5.92 -0.39 1 18 ASP 3.18 -0.04 1 19 HIS -2.51 0.00 1 21 LYS 5.09 -0.51 1 24 LEU 4.14 -0.20 1 25 LEU 3.99 -0.57 1 26 ASP 3.41 -0.42 1 27 ALA 2.80 -0.16 1 28 ILE 5.35 -0.78 1 29 ARG 3.77 -0.86 1 30 HIS 1.56 -0.15 1 31 SER 0.97 0.06 1 32 LYS -1.63 0.37 1 33 VAL 1.64 0.14 1 34 THR -0.66 0.32 1 35 GLU -1.07 0.11 1 36 GLN 0.56 0.08 1 37 GLU -0.41 -0.03 1 38 ALA 0.01 0.05 1 41 ILE 0.36 0.12 1 42 THR 0.23 0.00 1 45 ILE 0.05 0.05 1 47 ALA -3.51 0.70 1 48 TYR -3.03 0.45 1 50 VAL -4.85 0.64 1 51 THR -0.03 0.77 1 52 VAL -2.31 0.10 1 53 ASN 3.80 -0.47 1 54 ASP 2.34 -0.36 1 58 THR 0.33 0.60 1 59 PHE -1.18 0.16 1 74 ARG 1.09 0.00 1 82 VAL -3.43 0.78 1 83 ILE -2.36 0.86 1 84 LEU -5.22 0.37 1 86 VAL -3.57 0.71 1 87 ALA -6.02 0.52 1 88 ALA 0.27 -0.41 1 89 ASP -1.68 0.16 1 90 ASP -5.75 0.43 1 92 VAL 2.84 -0.35 1 93 MET -1.57 0.60 1 95 GLN 5.09 -0.22 1 96 THR 6.54 -0.59 1 97 VAL 5.70 -1.04 1 98 GLU 2.73 -0.38 1 99 ALA 2.91 -0.24 1 100 ILE 5.67 -0.81 1 101 ASN 4.36 -0.27 1 102 HIS 3.06 -0.28 1 103 ALA 4.07 -0.38 1 104 LYS 3.56 -0.08 1 105 ALA 3.17 -0.12 1 106 ALA -1.05 0.06 1 107 ASN 2.56 -0.34 1 108 VAL -1.51 0.25 1 110 ILE -5.09 0.80 1 111 ILE -3.61 0.11 1 112 VAL 0.38 0.29 1 113 ALA -4.90 0.70 1 114 ILE 1.14 0.65 1 115 ASN -4.30 0.64 1 117 MET 2.67 -0.18 1 118 ASP -0.71 -0.17 1 119 LYS 1.66 -0.11 1 121 GLU 1.20 -0.01 1 122 ALA 1.21 -0.80 1 123 ASN -0.48 0.15 1 125 ASP 4.09 -0.13 1 126 ARG 5.37 -0.14 1 127 VAL 5.38 -0.04 1 128 MET 5.21 -0.63 1 129 GLN 5.11 -0.01 1 130 GLU 2.80 -0.11 1 131 LEU 3.68 0.09 1 132 MET 5.22 -0.43 1 133 GLU 2.38 -0.27 1 134 TYR 0.53 -0.02 1 135 ASN 3.57 -0.44 1 136 LEU -0.40 0.47 1 137 VAL -1.55 0.04 1 139 GLU 2.50 -0.23 1 140 GLU 3.04 -0.06 1 141 TRP -3.66 0.59 1 144 ASP -2.29 0.35 1 145 THR 0.78 0.34 1 146 ILE 1.92 -0.08 1 147 PHE -4.37 0.84 1 149 LYS 0.33 0.53 1 150 LEU -2.08 0.55 1 151 SER -2.54 0.47 1 152 ALA 3.01 -0.39 1 153 LYS 2.46 -0.19 1 154 THR 0.19 0.03 1 155 LYS 6.77 -0.51 1 156 GLU 0.86 -0.08 1 158 LEU 4.17 -0.35 1 159 ASP 5.54 -0.27 1 160 HIS 4.04 -0.18 1 161 LEU 4.67 -0.10 1 162 LEU 5.08 -0.37 1 163 GLU 3.64 -0.45 1 164 MET 1.41 0.07 1 165 ILE 5.97 -0.80 1 166 LEU 3.80 -0.37 1 167 LEU 3.63 -0.14 1 168 VAL 5.44 -0.39 1 171 MET 2.73 -0.21 1 172 GLU 1.46 -0.19 1 173 GLU 1.80 -0.17 1 174 LEU 1.34 -0.05 1 175 LYS 0.97 -0.07 1 176 ALA -0.06 -0.01 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr6946_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -6.96 _LACS_plot.Line_1_terminator_val_y_1 -2.46 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.54 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -0.83 _LACS_plot.Line_2_terminator_val_x_2 6.76 _LACS_plot.Line_2_terminator_val_y_2 2.03 _LACS_plot.Y_axis_chem_shift_offset 0.15 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 14 MET -6.96 -2.65 0 155 LYS 6.77 -0.86 0 136 LEU -0.40 -4.10 0 87 ALA -6.02 0.52 0 12 THR 0.14 -1.57 1 13 ILE 0.81 -1.23 1 16 HIS -1.19 2.29 1 18 ASP 3.18 0.30 1 19 HIS -2.51 1.88 1 21 LYS 5.09 -0.34 1 24 LEU 4.14 -0.51 1 25 LEU 3.99 1.67 1 26 ASP 3.41 1.20 1 27 ALA 2.80 2.68 1 29 ARG 3.77 1.16 1 30 HIS 1.56 2.16 1 31 SER 0.97 0.14 1 32 LYS -1.63 -0.24 1 33 VAL 1.64 -0.03 1 34 THR -0.66 -0.04 1 35 GLU -1.07 -0.23 1 36 GLN 0.56 0.02 1 37 GLU -0.41 -0.23 1 38 ALA 0.01 0.39 1 41 ILE 0.36 0.16 1 42 THR 0.23 -0.38 1 45 ILE 0.05 -0.09 1 47 ALA -3.51 -1.41 1 48 TYR -3.03 -2.35 1 49 GLN -4.02 -0.75 1 50 VAL -4.85 -1.83 1 51 THR -0.03 -0.57 1 52 VAL -2.31 -1.44 1 53 ASN 3.80 -1.17 1 54 ASP 2.34 -1.43 1 58 THR 0.33 -2.23 1 59 PHE -1.18 0.56 1 74 ARG 1.09 0.64 1 81 ILE -6.03 -2.30 1 82 VAL -3.43 -1.25 1 83 ILE -2.36 -2.13 1 84 LEU -5.22 -3.09 1 85 VAL -0.45 -0.96 1 86 VAL -3.57 -3.54 1 88 ALA 0.27 -0.99 1 89 ASP -1.68 -2.12 1 90 ASP -5.75 -0.66 1 92 VAL 2.84 -0.20 1 95 GLN 5.09 3.02 1 96 THR 6.54 0.81 1 97 VAL 5.70 1.09 1 98 GLU 2.73 1.86 1 99 ALA 2.91 0.88 1 100 ILE 5.67 1.21 1 101 ASN 4.36 3.87 1 102 HIS 3.06 3.70 1 103 ALA 4.07 2.08 1 104 LYS 3.56 4.24 1 105 ALA 3.17 0.85 1 106 ALA -1.05 -1.46 1 107 ASN 2.56 -1.26 1 110 ILE -5.09 -0.13 1 111 ILE -3.61 -1.39 1 112 VAL 0.38 -2.56 1 113 ALA -4.90 -3.34 1 114 ILE 1.14 -2.82 1 117 MET 2.67 -0.43 1 118 ASP -0.71 -0.08 1 121 GLU 1.20 -0.58 1 122 ALA 1.21 -0.54 1 125 ASP 4.09 1.73 1 126 ARG 5.37 2.34 1 127 VAL 5.38 0.79 1 128 MET 5.21 1.08 1 129 GLN 5.11 3.72 1 130 GLU 2.80 3.83 1 131 LEU 3.68 1.87 1 132 MET 5.22 3.45 1 133 GLU 2.38 0.05 1 134 TYR 0.53 -1.23 1 135 ASN 3.57 -1.15 1 139 GLU 2.50 3.57 1 140 GLU 3.04 0.27 1 141 TRP -3.66 -0.27 1 144 ASP -2.29 0.36 1 145 THR 0.78 -1.32 1 146 ILE 1.92 -1.98 1 147 PHE -4.37 0.82 1 149 LYS 0.33 -0.73 1 150 LEU -2.08 -3.02 1 151 SER -2.54 0.91 1 152 ALA 3.01 -0.62 1 153 LYS 2.46 1.47 1 154 THR 0.19 1.35 1 156 GLU 0.86 0.56 1 158 LEU 4.17 0.34 1 159 ASP 5.54 2.41 1 160 HIS 4.04 2.29 1 161 LEU 4.67 0.41 1 162 LEU 5.08 0.80 1 163 GLU 3.64 3.35 1 164 MET 1.41 1.86 1 165 ILE 5.97 1.45 1 166 LEU 3.80 1.76 1 167 LEU 3.63 1.80 1 168 VAL 5.44 2.16 1 171 MET 2.73 2.33 1 172 GLU 1.46 1.81 1 173 GLU 1.80 1.28 1 174 LEU 1.34 0.72 1 175 LYS 0.97 0.00 1 176 ALA -0.06 -0.75 1 stop_ save_